Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CES1 | P23141 | 5/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.41 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28993105 | 0.84 | NPC1 (0.44) | CYP1A2CES1ALDH1A1POLBPARP1 | |
| SCHEMBL1244297 | 0.84 | CYP1A2 (0.65) | CYP1A2TSHRALDH1A1DAONAPRT | |
| SCHEMBL28993094 | 0.83 | CES1 (0.53) | CES1SRCCES2ALDH1A1CYP3A4 | |
| SCHEMBL44516 | 0.81 | CES1 (0.50) | CYP1A2CES1SRCTSHRCES2 | |
| SCHEMBL28993116 | 0.81 | MEN1 (0.42) | CYP1A2CES1CES2ALDH1A1MAPK1 | |
| SCHEMBL2981609 | 0.78 | CES1 (0.52) | CYP1A2CES1SRCTSHRCES2 | |
| SCHEMBL8445440 | 0.78 | CES1 (0.56) | CYP1A2CES1SRCTSHRCES2 | |
| SCHEMBL14645587 | 0.78 | CES1 (0.56) | CYP1A2CES1SRCTSHRCES2 | |
| SCHEMBL28993107 | 0.77 | CES1 (0.42) | CYP1A2CES1SRCTSHRCES2 | |
| SCHEMBL669851 | 0.77 | CES1 (0.61) | CES1SRCTSHRCES2ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116023202-A | Synthetic method of alpha-chlorarone derivative | 西南大学 | 2023-04-28 | — | — | CN | disclosed |